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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 33765-68-3, Prostetin, Tsaa-291, Mn4i850d4p, Ncgc00183854-01, (8r,9s,10r,13s,14s,16s,17s)-16-ethyl-17-hydroxy-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-one

Molecular Formula

C₂₀H₃₀O₂

Molecular Weight

302.5 g/mol

InChI Key

FCKLFGKATYPJPG-SSTBVEFVSA-N

FDA UNII

MN4I850D4P

1 2D Structure

Oxendolone

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(8R,9S,10R,13S,14S,16S,17S)-16-ethyl-17-hydroxy-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one

2.1.2 InChI

InChI=1S/C20H30O2/c1-3-12-11-18-17-6-4-13-10-14(21)5-7-15(13)16(17)8-9-20(18,2)19(12)22/h10,12,15-19,22H,3-9,11H2,1-2H3/t12-,15-,16+,17+,18-,19-,20-/m0/s1

2.1.3 InChI Key

FCKLFGKATYPJPG-SSTBVEFVSA-N

2.1.4 Canonical SMILES

CCC1CC2C3CCC4=CC(=O)CCC4C3CCC2(C1O)C

2.1.5 Isomeric SMILES

CC[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]2([C@H]1O)C

2.2 Other Identifiers

2.2.1 UNII

MN4I850D4P

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 16 Beta-ethyl-17 Beta-hydroxyestr-4-en-3-one

2. 16 Beta-ethyl-19-nortestosterone

3. 16 Ethyl-17-hydroxy-4-estren-3-one

4. Ehoo

5. Tsaa 291

6. Tsaa-291

7. Tsaa291

2.3.2 Depositor-Supplied Synonyms

1. 33765-68-3

2. Prostetin

3. Tsaa-291

4. Mn4i850d4p

5. Ncgc00183854-01

6. (8r,9s,10r,13s,14s,16s,17s)-16-ethyl-17-hydroxy-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-one

7. Oxendolona

8. Oxendolonum

9. (8r,9s,10r,13s,14s,16s,17s)-16-ethyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3h-cyclopenta[a]phenanthren-3-one

10. Oxendolonum [inn-latin]

11. Oxendolona [inn-spanish]

12. Unii-mn4i850d4p

13. Oxendolone [usan:inn:jan]

14. 16-beta-ethyl-19-nortestosterone

15. Prostetin (tn)

16. 16-ethyl-17-hydroxyester-4-en-3-one

17. Oxendolone [mi]

18. Oxendolone [inn]

19. Oxendolone [jan]

20. Oxendolone [usan]

21. 16beta-ethyl-17beta-hydroxyestr-4-en-3-one

22. Oxendolone [mart.]

23. 16-beta-ethyl-17-beta-hydroxyestr-4-en-3-one

24. Dsstox_cid_28740

25. Dsstox_rid_83009

26. Oxendolone [who-dd]

27. Dsstox_gsid_48814

28. Oxendolone (jan/usan/inn)

29. Schembl233297

30. Chembl513856

31. Dtxsid8048814

32. Chebi:31946

33. Estr-4-en-3-one, 16-ethyl-17-hydroxy-, (16-beta,17-beta)-

34. Zinc4217221

35. Tox21_113291

36. Akos016014084

37. Cas-33765-68-3

38. 16beta-ethyl-17beta-hydroxy-4-estren-3-one

39. 17beta-hydroxy-16beta-ethyl-4-estren-3-one

40. D01329

41. Q15633970

42. (16beta,17beta)-16-ethyl-17-hydroxyestr-4-en-3-one

43. Estr-4-en-3-one, 16-beta-ethyl-17-beta-hydroxy-

44. 16.beta.-ethyl-17.beta.-hydroxyestr-4-en-3-one

45. Estr-4-en-3-one, 16-ethyl-17-hydroxy-, (16beta,17beta)-

46. Allyl-2,3-di-o-benzyl-4,6-o-benzylidene-alpha-d-glucopyranoside

47. Estr-4-en-3-one, 16-ethyl-17-hydroxy-, (16.beta.,17.beta.)-

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₃₀O₂
Molecular Weight	302.5 g/mol
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	302.224580195 g/mol
Monoisotopic Mass	302.224580195 g/mol
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	508
Isotope Atom Count	0
Defined Atom Stereocenter Count	7
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1